DEDUCT | Database of Endocrine Disrupting chemicals and their Toxicity profiles

Batch Download for DEDuCT version 3.0

S. No.	File description	File type	File size
1	Names and Identifiers of EDCs List of 1043 EDCs with their DEDuCT Identifer, PubChem identifier, CASRN, DTXSID, Name, IUPAC Name, SMILES, InChI and InChIKey.	tsv	298K
2	Classification and Categorization of EDCs List of 1043 EDCs with their Chemical Kingdom, Chemical Superclass, Chemical Class, Chemical Subclass, Broad category based on their Environmental Source and Sub-category based on their Environmental Source.	tsv	210K
3	Literature evidence, Dosage Information, Endpoint and Systems-level endocrine-mediated perturbations of EDCs List of 1043 EDCs with their Literature evidence, Study type, Dosage unit, Test/Effective dosage, Endocrine-mediated endpoints and Systems-level perturbations.	tsv	3M
4	Physicochemical properties of EDCs List of 1043 EDCs with their Physicochemical properties, namely, Molecular weight, Log P, TPSA, Hydrogen bond acceptors, Hydrogen bond donors, Carbon atoms, Heavy atoms, Heteroatoms, Chiral centers and Rotatable bonds.	tsv	79K
5	Predicted ADMET properties of EDCs List of 1043 EDCs with their predicted ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties.	tsv	1.8M
6	Chemical Gene Interaction for EDCs List of 682 EDCs with their associated gene interactions curated from CTD	tsv	35.9M
7	Chemical Phenotype Interaction for EDCs List of 599 EDCs with their associated phenotype interactions curated from CTD	tsv	3.1M
8	Chemical Disease Association for EDCs List of 586 EDCs with their associated diseases curated from CTD	tsv	1.4M
9	Active ToxCast endpoints for EDCs List of 579 EDCs with their associated active human- and rodent-relevant endpoint information from ToxCast invitrodb v4.3	tsv	15.4M
10	Stressor-AOP network for EDCs List of 949 EDCs with their associated AOP information	tsv	20.5M
11	Product Use Categories for EDCs List of 542 EDCs with their associated product use data compiled from CPDatv4	tsv	51.4M
12	Functional use information for EDCs List of 473 EDCs with their associated Functional use data compiled from CPDatv4	tsv	137K
13	Predicted Molecular Descriptors for EDCs List of 1043 EDCs with their predicted 1D, 2D and 3D Molecular descriptors computed using Padel, Pybel and RDkit.	tsv	288.5M
14	2D structure of EDCs A single sdf file with 2-dimensional structure of 1043 EDCs.	sdf	3.2M
15	3D structure of EDCs A single sdf file with 3-dimensional structure of 1043 EDCs.	sdf	3.2M
16	DEDuCT-KG A compressed folder containing node and edge tables within DEDuCT-KG	zip	8.1M

DISCLAIMER

We have built a comprehensive resource which compiles potential endocrine disrupting chemicals (EDCs) based on the observed adverse effects or endocrine-mediated endpoints in published experiments on humans or rodents to support basic research. We are not responsible for any errors or omissions in the published research articles or supporting literature on potential EDCs compiled in this resource. Users are advised to exercise their own judgement on the weight of evidence for potential EDCs compiled in this resource. Importantly, our sole goal to build this resource on potential EDCs is to enable future basic research towards better understanding of the systems-level perturbations upon chemical exposure rather than influencing regulatory advice on chemical use.